AB45064
502-50-1 | 4-Oxoheptanedioic acid
Manufacturer: A2B Chem
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CatalogNumber
AB45064
ChemicalName
4-Oxoheptanedioic acid
CasNumber
502-50-1
MolecularFormula
C7H10O5
MolecularWeight
174.1513
MdlNumber
MFCD00002798
Smiles
O=C(CCC(=O)O)CCC(=O)O
NscNumber
16642
Complexity
176
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
2
RotatableBondCount
6
Xlogp3
-1.2
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CatalogNumber: AB45064
ChemicalName: 4-Oxoheptanedioic acid
CasNumber: 502-50-1
MolecularFormula: C7H10O5
MolecularWeight: 174.1513
MdlNumber: MFCD00002798
Smiles: O=C(CCC(=O)O)CCC(=O)O
NscNumber: 16642
Complexity: 176
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 6
Xlogp3: -1.2
CatalogNumber:
AB45064
ChemicalName:
4-Oxoheptanedioic acid
CasNumber:
502-50-1
MolecularFormula:
C7H10O5
MolecularWeight:
174.1513
MdlNumber:
MFCD00002798
Smiles:
O=C(CCC(=O)O)CCC(=O)O
NscNumber:
16642
Complexity:
176
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
6
Xlogp3:
-1.2
CatalogNumber: AB45065
ChemicalName: 4-Mercaptobenzoic acid
CasNumber: 1074-36-8
MolecularFormula: C7H6O2S
MolecularWeight: 154.1863
MdlNumber: MFCD00016617
Smiles: OC(=O)c1ccc(cc1)S
NscNumber: 32022
Complexity: 128
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 1
Xlogp3: 2.3
CatalogNumber:
AB45065
ChemicalName:
4-Mercaptobenzoic acid
CasNumber:
1074-36-8
MolecularFormula:
C7H6O2S
MolecularWeight:
154.1863
MdlNumber:
MFCD00016617
Smiles:
OC(=O)c1ccc(cc1)S
NscNumber:
32022
Complexity:
128
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
1
Xlogp3:
2.3
CatalogNumber: AB45066
ChemicalName: 4-Methoxy-1H-indazole
CasNumber: 351210-06-5
MolecularFormula: C8H8N2O
MolecularWeight: 148.1619
MdlNumber: MFCD09261131
Smiles: COc1cccc2c1cn[nH]2
NscNumber: __
Complexity: 140
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 1.5
CatalogNumber:
AB45066
ChemicalName:
4-Methoxy-1H-indazole
CasNumber:
351210-06-5
MolecularFormula:
C8H8N2O
MolecularWeight:
148.1619
MdlNumber:
MFCD09261131
Smiles:
COc1cccc2c1cn[nH]2
NscNumber:
__
Complexity:
140
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
1.5
CatalogNumber: AB45067
ChemicalName: 4-Methoxy-2,6-dimethylbenzaldehyde
CasNumber: 19447-00-8
MolecularFormula: C10H12O2
MolecularWeight: 164.2011
MdlNumber: MFCD04971199
Smiles: COc1cc(C)c(c(c1)C)C=O
NscNumber: __
Complexity: 144
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: __
RotatableBondCount: 2
Xlogp3: 2.1
CatalogNumber:
AB45067
ChemicalName:
4-Methoxy-2,6-dimethylbenzaldehyde
CasNumber:
19447-00-8
MolecularFormula:
C10H12O2
MolecularWeight:
164.2011
MdlNumber:
MFCD04971199
Smiles:
COc1cc(C)c(c(c1)C)C=O
NscNumber:
__
Complexity:
144
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
__
RotatableBondCount:
2
Xlogp3:
2.1